![6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine structure](/static/products/6358/63589-20-8.webp)
6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine
TL;DR: 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine (CAS 63589-20-8) is a chemical compound with molecular formula C17H18BrN5O4S and molecular weight 467.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-6-[(4-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine, 2-[2-amino-6-[(4-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 6-{[(4-Bromophenyl)methyl]sulfanyl}-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
| Molecular Formula | C17H18BrN5O4S |
|---|---|
| Molecular Weight | 467.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.02628 |
| Heavy Atoms | 28 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 63589-20-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)Br |
| InChIKey | ACESJTDCKDSICF-UHFFFAOYSA-N |
Product Overview
6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine (CAS 63589-20-8), with molecular formula C17H18BrN5O4S and molecular weight 467.03 g/mol. IUPAC: 2-[2-amino-6-[(4-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine
Property Insights of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine. The TPSA of 165.0 Ų indicates high polarity, suggesting 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine?
The CAS number of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine is 63589-20-8.
What is the molecular formula of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine?
The molecular formula of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine is C17H18BrN5O4S.
What is the molecular weight of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine?
The molecular weight of 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine is 467.03 g/mol.
Where can I buy 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine?
You can request a quote for 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-bromobenzyl)sulfanyl]-9-pentofuranosyl-9h-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.